BDBM50129128 CHEMBL3629243::US10434085, Compound 10

SMILES: [H][C@]12C\C=C\c3cc(OC)cc(O)c3C(=O)O[C@@H](C)C\C=C/C(=O)[C@@]1([H])OC(C)(C)O2

InChI Key: InChIKey=MFUROMODHKJRGA-FTQBRHHNSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50129128   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50129128 (CHEMBL3629243 | US10434085, Compound 10) Show SMILES [H][C@]12C\C=C\c3cc(OC)cc(O)c3C(=O)O[C@@H](C)C\C=C/C(=O)[C@@]1([H])OC(C)(C)O2 |r,c:21,t:3| Show InChI InChI=1S/C22H26O7/c1-13-7-5-9-16(23)20-18(28-22(2,3)29-20)10-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8-9,11-13,18,20,24H,7,10H2,1-4H3/b8-6+,9-5-/t13-,18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro US Patent					Assay Description The assay was performed at BSP Biosience Inc. (5Z)-7-oxozeaenol was used as a positive control. Analogue 3 was not tested due to the short-term stabi...				US Patent US10434085 (2019) BindingDB Entry DOI: 10.7270/Q2SB483C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50129128 (CHEMBL3629243 | US10434085, Compound 10) Show SMILES [H][C@]12C\C=C\c3cc(OC)cc(O)c3C(=O)O[C@@H](C)C\C=C/C(=O)[C@@]1([H])OC(C)(C)O2 |r,c:21,t:3| Show InChI InChI=1S/C22H26O7/c1-13-7-5-9-16(23)20-18(28-22(2,3)29-20)10-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h5-6,8-9,11-13,18,20,24H,7,10H2,1-4H3/b8-6+,9-5-/t13-,18-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin)				Bioorg Med Chem 23: 6993-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TNS
					More data for this Ligand-Target Pair